3-[(E)-2-pyridin-4-ylethenyl]-1,2-benzoxazole

C14H10N2O — CID 10398627

IUPAC3-[(E)-2-pyridin-4-ylethenyl]-1,2-benzoxazole
SMILESC(=C/c1noc2ccccc12)\c1ccncc1
InChIInChI=1S/C14H10N2O/c1-2-4-14-12(3-1)13(16-17-14)6-5-11-7-9-15-10-8-11/h1-10H/b6-5+
InChIKeyINOWWNGKAOMZCD-AATRIKPKSA-N
MW222.25 g/mol
LogP3.39
Rot. Bonds2

About 3-[(E)-2-pyridin-4-ylethenyl]-1,2-benzoxazole

3-[(E)-2-pyridin-4-ylethenyl]-1,2-benzoxazole (PubChem CID 10398627) has the molecular formula C14H10N2O and a molecular weight of 222.25 g/mol. Its IUPAC name is 3-[(E)-2-pyridin-4-ylethenyl]-1,2-benzoxazole.

Molecular Properties

Compound Name3-[(E)-2-pyridin-4-ylethenyl]-1,2-benzoxazole
PubChem CID10398627
Molecular FormulaC14H10N2O
Molecular Weight222.25 g/mol
Exact Mass222.08
IUPAC Name3-[(E)-2-pyridin-4-ylethenyl]-1,2-benzoxazole
SMILESC(=C/c1noc2ccccc12)\c1ccncc1
InChIInChI=1S/C14H10N2O/c1-2-4-14-12(3-1)13(16-17-14)6-5-11-7-9-15-10-8-11/h1-10H/b6-5+
InChIKeyINOWWNGKAOMZCD-AATRIKPKSA-N
XLogP3.39
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Pyridin-3-ylisoxazol-5-YL)methanamine
CID 11993865
6-fluoro-3-[1-[3-(5-fluoro-1H-indol-3-yl)propyl]piperidin-4-yl]-1,2-benzoxazole
CID 141745660
5-phenyl-N-(2-pyridinylmethyl)-3-isoxazolecarboxamide
CID 973877
3-(4-Fluorophenyl)-4-pyridin-4-yl-1,2-oxazole
CID 9816180
(E)-3-(2-(1-benzylpiperidin-4-yl)vinyl)benzo[d]isoxazole
CID 9901561
5-phenyl-N-(3-pyridinylmethyl)-3-isoxazolecarboxamide
CID 973868
4-[3-(4-Fluorophenyl)-5-isopropylisoxazol-4-yl]pyridine
CID 16115351
5-Methyl-3-phenyl-6-pyridin-4-yl-[1,2]oxazolo[4,5-c]pyridin-4-one
CID 22015566
7-(4-Methyl-3-pyridinyl)-3-phenyl-1,2-benzoxazole
CID 71515497
3-(4-Fluorophenyl)-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole
CID 71544317
N-pyridin-2-yl-1,2-benzoxazole-3-carboxamide
CID 155813831
US10745401, Example 4
CID 146344053

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-pyridin-4-ylethenyl]-1,2-benzoxazole?
The IUPAC name of 3-[(E)-2-pyridin-4-ylethenyl]-1,2-benzoxazole (CID 10398627) is 3-[(E)-2-pyridin-4-ylethenyl]-1,2-benzoxazole.
What is the SMILES notation for 3-[(E)-2-pyridin-4-ylethenyl]-1,2-benzoxazole?
The canonical SMILES for 3-[(E)-2-pyridin-4-ylethenyl]-1,2-benzoxazole is C(=C/c1noc2ccccc12)\c1ccncc1.
What is the InChIKey of 3-[(E)-2-pyridin-4-ylethenyl]-1,2-benzoxazole?
The InChIKey is INOWWNGKAOMZCD-AATRIKPKSA-N. The full InChI is InChI=1S/C14H10N2O/c1-2-4-14-12(3-1)13(16-17-14)6-5-11-7-9-15-10-8-11/h1-10H/b6-5+.
What are the key properties of 3-[(E)-2-pyridin-4-ylethenyl]-1,2-benzoxazole?
3-[(E)-2-pyridin-4-ylethenyl]-1,2-benzoxazole has a molecular weight of 222.25 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-pyridin-4-ylethenyl]-1,2-benzoxazole is sourced from PubChem (CID 10398627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).